2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten

C96H118Br4N15O17W- — CID 162001070

About 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten

2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten (PubChem CID 162001070) has the molecular formula C96H118Br4N15O17W- and a molecular weight of 2257.54 g/mol. Its IUPAC name is 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten.

Molecular Properties

• Compound Name: 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten
• PubChem CID: 162001070
• Molecular Formula: C96H118Br4N15O17W-
• Molecular Weight: 2257.54 g/mol
• Exact Mass: 2252.51
• IUPAC Name: 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten
• SMILES: COCc1cccnc1Br.COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.COCc1cccnc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.Cc1cccnc1Br.O=C(O)c1cccnc1Br.OCc1cccnc1Br.[CH3-].[W]
• InChI: InChI=1S/C29H36N4O6.C24H28N4O4.C17H27N3O3.C7H8BrNO.C6H4BrNO2.C6H6BrNO.C6H6BrN.CH3.W/c1-28(2,3)38-27(36)32-16-8-10-22(17-32)33(25-21(18-37-6)9-7-15-30-25)26(35)20-13-11-19(12-14-20)23-24(34)29(4,5)39-31-23;1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22;1-17(2,3)23-16(21)20-10-6-8-14(11-20)19-15-13(12-22-4)7-5-9-18-15;1-10-5-6-3-2-4-9-7(6)8;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6;1-5-3-2-4-8-6(5)7;;/h7,9,11-15,22H,8,10,16-18H2,1-6H3;4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3;5,7,9,14H,6,8,10-12H2,1-4H3,(H,18,19);2-4H,5H2,1H3;1-3H,(H,9,10);1-3,9H,4H2;2-4H,1H3;1H3;/q;;;;;;;-1;/t22-;19-;14-;;;;;;/m111....../s1
• InChIKey: XMOVQZKCBMEBDG-KPDHRQJRSA-N
• XLogP: 17.57
• TPSA: 385.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.54
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten?

The IUPAC name of 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten (CID 162001070) is 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten.

What is the SMILES notation for 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten?

The canonical SMILES for 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten is COCc1cccnc1Br.COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.COCc1cccnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.COCc1cccnc1N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.Cc1cccnc1Br.O=C(O)c1cccnc1Br.OCc1cccnc1Br.[CH3-].[W].

What is the InChIKey of 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten?

The InChIKey is XMOVQZKCBMEBDG-KPDHRQJRSA-N. The full InChI is InChI=1S/C29H36N4O6.C24H28N4O4.C17H27N3O3.C7H8BrNO.C6H4BrNO2.C6H6BrNO.C6H6BrN.CH3.W/c1-28(2,3)38-27(36)32-16-8-10-22(17-32)33(25-21(18-37-6)9-7-15-30-25)26(35)20-13-11-19(12-14-20)23-24(34)29(4,5)39-31-23;1-24(2)21(29)20(27-32-24)16-8-10-17(11-9-16)23(30)28(19-7-5-12-25-14-19)22-18(15-31-3)6-4-13-26-22;1-17(2,3)23-16(21)20-10-6-8-14(11-20)19-15-13(12-22-4)7-5-9-18-15;1-10-5-6-3-2-4-9-7(6)8;7-5-4(6(9)10)2-1-3-8-5;7-6-5(4-9)2-1-3-8-6;1-5-3-2-4-8-6(5)7;;/h7,9,11-15,22H,8,10,16-18H2,1-6H3;4,6,8-11,13,19,25H,5,7,12,14-15H2,1-3H3;5,7,9,14H,6,8,10-12H2,1-4H3,(H,18,19);2-4H,5H2,1H3;1-3H,(H,9,10);1-3,9H,4H2;2-4H,1H3;1H3;/q;;;;;;;-1;/t22-;19-;14-;;;;;;/m111....../s1.

What are the key properties of 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten?

2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten has a molecular weight of 2257.54 g/mol, XLogP of 17.57, 20 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-(methoxymethyl)pyridine;2-bromo-3-methylpyridine;2-bromopyridine-3-carboxylic acid;(2-bromo-3-pyridinyl)methanol;tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[3-(methoxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate;carbanide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[3-(methoxymethyl)-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide;tungsten is sourced from PubChem (CID 162001070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).